COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       0.716   2.978  -0.440  1.00  0.00           N  
HETATM    2  N   UNL     1       2.974   2.480  -0.476  1.00  0.00           N  
HETATM    3  C   UNL     1       2.738   1.179  -0.362  1.00  0.00           C  
HETATM    4  C   UNL     1       1.406   0.729  -0.281  1.00  0.00           C  
HETATM    5  C   UNL     1       0.377   1.692  -0.325  1.00  0.00           C  
HETATM    6  C   UNL     1       2.686  -1.018  -0.184  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.126   0.978  -0.182  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.501   0.586  -0.104  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.510   1.555  -0.154  1.00  0.00           C  
HETATM   10  C   UNL     1      -6.164  -0.173   0.046  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.838  -0.766   0.017  1.00  0.00           C  
HETATM   12  C   UNL     1      -7.925  -1.926   0.252  1.00  0.00           C  
HETATM   13  C1* UNL     1       4.984   0.011  -0.345  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.999   1.300  -0.246  1.00  0.00           C  
HETATM   15  C   UNL     1       1.980   3.345  -0.512  1.00  0.00           C  
HETATM   16  C2* UNL     1       5.582   0.237   1.067  1.00  0.00           C  
HETATM   17  C   UNL     1      -5.830   1.176  -0.079  1.00  0.00           C  
HETATM   18  C   UNL     1      -5.160  -1.141   0.091  1.00  0.00           C  
HETATM   19  C   UNL     1      -7.588  -0.579   0.127  1.00  0.00           C  
HETATM   20  C   UNL     1      -9.252  -2.297   0.327  1.00  0.00           C  
HETATM   21  C3* UNL     1       6.963  -0.452   0.949  1.00  0.00           C  
HETATM   22  C   UNL     1     -10.246  -1.336   0.283  1.00  0.00           C  
HETATM   23  C   UNL     1      -9.917   0.002   0.164  1.00  0.00           C  
HETATM   24  C   UNL     1      -8.594   0.385   0.077  1.00  0.00           C  
HETATM   25  C4* UNL     1       6.802  -1.420  -0.239  1.00  0.00           C  
HETATM   26  C5* UNL     1       7.085  -2.853   0.216  1.00  0.00           C  
HETATM   27  N   UNL     1       1.446  -0.618  -0.174  1.00  0.00           N  
HETATM   28  N   UNL     1       3.521   0.053  -0.299  1.00  0.00           N  
HETATM   29  O2* UNL     1       5.729   1.632   1.342  1.00  0.00           O  
HETATM   30  O3* UNL     1       7.982   0.513   0.677  1.00  0.00           O  
HETATM   31  O4* UNL     1       5.444  -1.312  -0.697  1.00  0.00           O  
HETATM   32  O5* UNL     1       7.047  -3.727  -0.914  1.00  0.00           O  
HETATM   33  H   UNL     1       3.006  -2.047  -0.112  1.00  0.00           H  
HETATM   34  H   UNL     1      -4.252   2.599  -0.251  1.00  0.00           H  
HETATM   35  H   UNL     1      -3.061  -1.516   0.051  1.00  0.00           H  
HETATM   36  H   UNL     1      -7.150  -2.677   0.287  1.00  0.00           H  
HETATM   37  H1* UNL     1       5.367   0.752  -1.046  1.00  0.00           H  
HETATM   38  H   UNL     1       2.210   4.396  -0.605  1.00  0.00           H  
HETATM   39  H2* UNL     1       4.970  -0.245   1.830  1.00  0.00           H  
HETATM   40  H   UNL     1      -6.609   1.923  -0.118  1.00  0.00           H  
HETATM   41  H   UNL     1      -5.421  -2.185   0.185  1.00  0.00           H  
HETATM   42  H   UNL     1      -9.515  -3.341   0.420  1.00  0.00           H  
HETATM   43  H3* UNL     1       7.194  -1.002   1.861  1.00  0.00           H  
HETATM   44  H   UNL     1     -11.283  -1.632   0.342  1.00  0.00           H  
HETATM   45  H   UNL     1     -10.697   0.748   0.130  1.00  0.00           H  
HETATM   46  H   UNL     1      -8.338   1.430  -0.020  1.00  0.00           H  
HETATM   47  H4* UNL     1       7.487  -1.141  -1.040  1.00  0.00           H  
HETATM   48 H5*1 UNL     1       8.071  -2.900   0.679  1.00  0.00           H  
HETATM   49 H5*2 UNL     1       6.329  -3.161   0.938  1.00  0.00           H  
HETATM   50  H2* UNL     1       6.100   1.824   2.214  1.00  0.00           H  
HETATM   51  H3* UNL     1       8.868   0.136   0.593  1.00  0.00           H  
HETATM   52  H5* UNL     1       7.219  -4.655  -0.700  1.00  0.00           H  
CONECT    1   15   15    5                                            
CONECT    2    3    3   15                                            
CONECT    3   28    2    2    4                                       
CONECT    4    3   27    5    5                                       
CONECT    5    4    4    1   14                                       
CONECT    6   28   27   27   33                                       
CONECT    7   14   14   14    8                                       
CONECT    8    7   11   11    9                                       
CONECT    9    8   17   17   34                                       
CONECT   10   18   18   17   19                                       
CONECT   11    8    8   18   35                                       
CONECT   12   19   20   20   36                                       
CONECT   13   31   16   28   37                                       
CONECT   14    5    7    7    7                                       
CONECT   15    2    1    1   38                                       
CONECT   16   21   13   29   39                                       
CONECT   17    9    9   10   40                                       
CONECT   18   11   10   10   41                                       
CONECT   19   10   24   24   12                                       
CONECT   20   12   12   22   42                                       
CONECT   21   25   30   16   43                                       
CONECT   22   23   23   20   44                                       
CONECT   23   24   22   22   45                                       
CONECT   24   19   19   23   46                                       
CONECT   25   26   21   31   47                                       
CONECT   26   32   25   48   49                                       
CONECT   27    6    6    4                                            
CONECT   28   13    3    6                                            
CONECT   29   16   50                                                 
CONECT   30   21   51                                                 
CONECT   31   25   13                                                 
CONECT   32   26   52                                                 
CONECT   33    6                                                      
CONECT   34    9                                                      
CONECT   35   11                                                      
CONECT   36   12                                                      
CONECT   37   13                                                      
CONECT   38   15                                                      
CONECT   39   16                                                      
CONECT   40   17                                                      
CONECT   41   18                                                      
CONECT   42   20                                                      
CONECT   43   21                                                      
CONECT   44   22                                                      
CONECT   45   23                                                      
CONECT   46   24                                                      
CONECT   47   25                                                      
CONECT   48   26                                                      
CONECT   49   26                                                      
CONECT   50   29                                                      
CONECT   51   30                                                      
CONECT   52   32                                                      
MASTER        0    0    0    0    0    0    0    0   52    0   52    0
END
